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WRNA10

CAT: 0931-T62765-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62765-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1174719-68-6
Target
Others, HIV Protease
Related Pathways
Microbiology/Virology, Others, Proteases/Proteasome
Bioactivity
WRNA10 is a potent binding agent for HIV-1TAR RNA (IC50: 10 μM, CC50: 40 μM) .
Smiles
CN1C=2C(C(=O)C=C1C3=CC(N)=C(OCCCN4CCN(C)CC4)C=C3)=C(O)C=C(OC)C2
Molecular Formula
C25H32N4O4
Molecular Weight
452.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[3-Amino-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-5-hydroxy-7-methoxy-1-methylquinolin-4-one
CAS Number1174719-68-6
PubChem CID163408874
IUPAC Name2-[3-amino-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-5-hydroxy-7-methoxy-1-methylquinolin-4-one
Molecular FormulaC25H32N4O4
Molecular Weight452.5
XLogP3
Topological Polar Surface Area91.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity696
SMILES
CN1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=CC(=O)C4=C(N3C)C=C(C=C4O)OC)N
InChI
InChI=1S/C25H32N4O4/c1-27-8-10-29(11-9-27)7-4-12-33-24-6-5-17(13-19(24)26)20-16-23(31)25-21(28(20)2)14-18(32-3)15-22(25)30/h5-6,13-16,30H,4,7-12,26H2,1-3H3
InChIKey
RKSJTDUPPZINHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[3-Amino-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-5-hydroxy-7-methoxy-1-methylquinolin-4-one
CAS: 1174719-68-6
CID: 163408874
Formula: C25H32N4O4
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass452.24235551
Monoisotopic Mass452.24235551
Topological Polar Surface Area91.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-146382WRNA10

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